[N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene

C25H21N2P — CID 154732367

IUPAC[N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene
SMILESc1ccc(C(=NNP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21N2P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26-27-28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27H
InChIKeyBKTQXZPFIAYPEE-UHFFFAOYSA-N
MW380.43 g/mol
LogP5.08
Rot. Bonds6

About [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene

[N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene (PubChem CID 154732367) has the molecular formula C25H21N2P and a molecular weight of 380.43 g/mol. Its IUPAC name is [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene.

Molecular Properties

Compound Name[N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene
PubChem CID154732367
Molecular FormulaC25H21N2P
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC Name[N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene
SMILESc1ccc(C(=NNP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H21N2P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26-27-28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27H
InChIKeyBKTQXZPFIAYPEE-UHFFFAOYSA-N
XLogP5.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene?
The IUPAC name of [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene (CID 154732367) is [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene.
What is the SMILES notation for [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene?
The canonical SMILES for [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene is c1ccc(C(=NNP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene?
The InChIKey is BKTQXZPFIAYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N2P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26-27-28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27H.
What are the key properties of [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene?
[N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene has a molecular weight of 380.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(diphenylphosphanylamino)-C-phenylcarbonimidoyl]benzene is sourced from PubChem (CID 154732367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).